SCHEMBL29995753

SCHEMBL29995753

FC(F)(F)Oc1ccc(O[C@@H]2CCCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.53
ROCK1 Q13464 2/20 0.47
EPHX1 P07099 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.44
EPHX2 P34913 5/20 0.41
FAAH O00519 2/20 0.41
AADAC P22760 1/20 0.41
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
PIM1 P11309 1/20 0.41
HTR2C P28335 2/20 0.40
IKBKB O14920 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23410168 1.00 HRH1 (0.53) HRH1ROCK1EPHX1SCN10AEPHX2
SCHEMBL1673897 0.94 HRH1 (0.59) HRH1EPHX1EPHX2FAAHAADAC
Potassium Ion SCHEMBL3634494 0.90 HRH1 (0.56) HRH1EPHX1EPHX2FAAHAADAC
SCHEMBL13703554 0.89 HRH1 (0.54) HRH1EPHX1EPHX2FAAHAADAC
Hydrochloric Acid SCHEMBL4324971 0.88 HRH1 (0.53) HRH1EPHX1EPHX2FAAHAADAC
SCHEMBL18960369 0.85 EPHX2 (0.48) EPHX1EPHX2FAAHAADACFPR2
SCHEMBL2300079 0.84 CHRNB2 (0.49) HRH1ROCK1EPHX1SCN10AHTR2C
SCHEMBL19838848 0.82 HRH1 (0.58) HRH1ROCK1EPHX2HTR2CIKBKB
SCHEMBL7657873 0.81 EPHX2 (0.54) EPHX2FAAHAADACFPR2PROKR1
SCHEMBL76222 0.79 HRH1 (0.54) HRH1ROCK1EPHX1EPHX2FAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 CN disclosed